2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid

C20H24N4O3 — CID 119235427

IUPAC2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
SMILESCCc1c(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)cnn1C(C)(C)C
InChIInChI=1S/C20H24N4O3/c1-5-16-15(11-21-24(16)20(2,3)4)19(27)22-14-6-7-17-13(10-14)8-9-23(17)12-18(25)26/h6-11H,5,12H2,1-4H3,(H,22,27)(H,25,26)
InChIKeyIEJPIKMEGCGZHI-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.49
Rot. Bonds5

About 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid

2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid (PubChem CID 119235427) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
PubChem CID119235427
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
SMILESCCc1c(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)cnn1C(C)(C)C
InChIInChI=1S/C20H24N4O3/c1-5-16-15(11-21-24(16)20(2,3)4)19(27)22-14-6-7-17-13(10-14)8-9-23(17)12-18(25)26/h6-11H,5,12H2,1-4H3,(H,22,27)(H,25,26)
InChIKeyIEJPIKMEGCGZHI-UHFFFAOYSA-N
XLogP3.49
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235412
2-[[2-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224325
2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235594
3-[4-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541354
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[(4-imidazol-1-ylbenzoyl)amino]indol-1-yl]acetic acid
CID 75445751
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120566661
2-[5-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235417
5-[6-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indol-1-yl]pentanoic acid
CID 143452106

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid (CID 119235427) is 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid is CCc1c(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)cnn1C(C)(C)C.
What is the InChIKey of 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid?
The InChIKey is IEJPIKMEGCGZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-16-15(11-21-24(16)20(2,3)4)19(27)22-14-6-7-17-13(10-14)8-9-23(17)12-18(25)26/h6-11H,5,12H2,1-4H3,(H,22,27)(H,25,26).
What are the key properties of 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid?
2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid has a molecular weight of 368.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).